CID 10931962

4-methoxy-3-indolylmethylamine

Structural Information

Molecular Formula

C₁₀H₁₂N₂O

SMILES

COC1=CC=CC2=C1C(=CN2)CN

InChI

InChI=1S/C10H12N2O/c1-13-9-4-2-3-8-10(9)7(5-11)6-12-8/h2-4,6,12H,5,11H2,1H3

InChIKey

YKDYCKHEKOEVJM-UHFFFAOYSA-N

Compound name

(4-methoxy-1H-indol-3-yl)methanamine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 8
Patents: 176.09496 Da
Monoisotopic Mass: 0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	177.10224	135.5
[M+Na]+	199.08418	148.1
[M+NH4]+	194.12878	144.2
[M+K]+	215.05812	143.4
[M-H]-	175.08768	137.6
[M+Na-2H]-	197.06963	141.8
[M]+	176.09441	137.7
[M]-	176.09551	137.7

Literature stripe

literature stripe

Patent stripe

patents stripe